6-[(3S)-3-azanylpiperidin-1-yl]-4-oxidanylidene-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-[(3S)-3-azanylpiperidin-1-yl]-4-oxidanylidene-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-[(3S)-3-amino-1-piperidyl]-5-benzyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-[(3S)-3-amino-1-piperidinyl]-4-oxo-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-[(3S)-3-aminopiperidino]-5-benzyl-4-keto-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(N2CC4=CC=CC=C4)C(=O)N=CN3)C#N)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C3=C(N2CC4=CC=CC=C4)C(=O)N=CN3)C#N)N

InChI

InChI=1S/C19H20N6O/c20-9-15-16-17(18(26)23-12-22-16)25(10-13-5-2-1-3-6-13)19(15)24-8-4-7-14(21)11-24/h1-3,5-6,12,14H,4,7-8,10-11,21H2,(H,22,23,26)/t14-/m0/s1