2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-5-methoxy-benzenecarbonitrile

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-5-methoxy-benzenecarbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]-5-methoxy-benzonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-5-methoxybenzonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]-5-methoxybenzonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]-5-methoxy-benzonitrile Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)OC)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)OC)C#N)C

InChI

InChI=1S/C24H27N7O3/c1-4-5-11-30-20-21(27-23(30)29-10-6-7-18(26)15-29)28(2)24(33)31(22(20)32)14-16-8-9-19(34-3)12-17(16)13-25/h8-9,12,18H,6-7,10-11,14-15,26H2,1-3H3