75L

2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one


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Chemical Component Summary

Name2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one
Identifiers2-[(3~{R})-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-[(4-methylquinazolin-2-yl)methyl]-8,9-dihydro-7~{H}-pyrimido[2,1-b]purin-4-one
FormulaC27 H31 N9 O
Molecular Weight497.595
TypeNON-POLYMER
Isomeric SMILESCC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C
InChIInChI=1S/C27H31N9O/c1-3-4-14-35-23-24(31-26(35)33-12-7-9-19(28)16-33)36-15-8-13-34(27(36)32-25(23)37)17-22-29-18(2)20-10-5-6-11-21(20)30-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1
InChIKeyQWESHPQYRLOVFN-LJQANCHMSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count1
Bond Count73
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 122172854