2-[[8-(3-azanylpiperidin-1-yl)-1-methyl-2,6-bis(oxidanylidene)-3-prop-2-ynyl-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-1-methyl-2,6-bis(oxidanylidene)-3-prop-2-ynyl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-1-methyl-2,6-dioxo-3-prop-2-ynyl-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-1-methyl-2,6-dioxo-3-prop-2-ynyl-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-1-methyl-2,6-dioxo-3-prop-2-ynylpurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-2,6-diketo-1-methyl-3-propargyl-purin-7-yl]methyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCCC(C4)N)N(C1=O)CC#C

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCCC(C4)N)N(C1=O)CC#C

InChI

InChI=1S/C22H23N7O2/c1-3-10-28-19-18(20(30)26(2)22(28)31)29(13-16-8-5-4-7-15(16)12-23)21(25-19)27-11-6-9-17(24)14-27/h1,4-5,7-8,17H,6,9-11,13-14,24H2,2H3