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

Systemtic Name: 6-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-2-methoxy-pyridine-3-carbonitrile Openeye Name: 6-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]-2-methoxy-pyridine-3-carbonitrile CAS Name: 6-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-2-methoxy-3-pyridinecarbonitrile IUPAC Name: 6-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]-2-methoxypyridine-3-carbonitrile Traditional Name: 6-[[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]-2-methoxy-nicotinonitrile Formula: C23H26N8O3 MolecularWeight: 462.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N8O3/c1-4-5-11-30-18-19(27-22(30)29-10-6-7-16(25)13-29)28(2)23(33)31(21(18)32)14-17-9-8-15(12-24)20(26-17)34-3/h8-9,16H,6-7,10-11,13-14,25H2,1-3H3