VYN

8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

Created: 2023-09-20
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count68
Aromatic Bond Count18
2D diagram of VYN
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Chemical Component Summary

Name8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
Systematic Name (OpenEye OEToolkits)8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
FormulaC26 H29 Cl N6 O3
Molecular Weight509
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
SMILESOpenEye OEToolkits2.0.7Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC(CO)CO
Canonical SMILESCACTVS3.385 Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC(CO)CO
InChIInChI1.06 InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)
InChIKeyInChI1.06 PIJSEUOSRTYUJM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169408422