2-[8-(3-azanylpiperidin-1-yl)-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-purin-3-yl]ethanenitrile

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-purin-3-yl]ethanenitrile Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-purin-3-yl]acetonitrile CAS Name: 2-[8-(3-amino-1-piperidinyl)-7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-3-purinyl]acetonitrile IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacylpurin-3-yl]acetonitrile Traditional Name: 2-[8-(3-aminopiperidino)-2,6-diketo-7-(3-methylbut-2-enyl)-1-phenacyl-purin-3-yl]acetonitrile Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O3/c1-17(2)10-13-30-21-22(28-24(30)29-12-6-9-19(27)15-29)31(14-11-26)25(35)32(23(21)34)16-20(33)18-7-4-3-5-8-18/h3-5,7-8,10,19H,6,9,12-16,27H2,1-2H3