2-[[2-[(3S)-3-azanylpiperidin-1-yl]-4-oxidanylidene-6-pyrrolidin-1-yl-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3S)-3-azanylpiperidin-1-yl]-4-oxidanylidene-6-pyrrolidin-1-yl-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3S)-3-amino-1-piperidyl]-4-oxo-6-pyrrolidin-1-yl-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3S)-3-amino-1-piperidinyl]-4-oxo-6-(1-pyrrolidinyl)-3-pyrido[3,4-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3S)-3-aminopiperidin-1-yl]-4-oxo-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3S)-3-aminopiperidino]-4-keto-6-pyrrolidino-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C24H27N7O MolecularWeight: 429.51748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C3C(=C2)C(=O)N(C(=N3)N4CCCC(C4)N)CC5=CC=CC=C5C#N

Isomeric SMILES

C1CCN(C1)C2=NC=C3C(=C2)C(=O)N(C(=N3)N4CCC[C@@H](C4)N)CC5=CC=CC=C5C#N

InChI

InChI=1S/C24H27N7O/c25-13-17-6-1-2-7-18(17)15-31-23(32)20-12-22(29-9-3-4-10-29)27-14-21(20)28-24(31)30-11-5-8-19(26)16-30/h1-2,6-7,12,14,19H,3-5,8-11,15-16,26H2/t19-/m0/s1