2-[9-cyclopentyl-2-[[2-methoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]-8-oxidanylidene-purin-7-yl]ethanenitrile

Systemtic Name: 2-[9-cyclopentyl-2-[[2-methoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]-8-oxidanylidene-purin-7-yl]ethanenitrile Openeye Name: 2-[9-cyclopentyl-2-[2-methoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]-8-oxo-purin-7-yl]acetonitrile CAS Name: 2-[9-cyclopentyl-2-[2-methoxy-4-[(1-methyl-4-piperidinyl)oxy]anilino]-8-oxo-7-purinyl]acetonitrile IUPAC Name: 2-[9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-8-oxopurin-7-yl]acetonitrile Traditional Name: 2-[9-cyclopentyl-8-keto-2-[2-methoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]purin-7-yl]acetonitrile Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4CC#N)C5CCCC5)OC

Isomeric SMILES

CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4CC#N)C5CCCC5)OC

InChI

InChI=1S/C25H31N7O3/c1-30-12-9-18(10-13-30)35-19-7-8-20(22(15-19)34-2)28-24-27-16-21-23(29-24)32(17-5-3-4-6-17)25(33)31(21)14-11-26/h7-8,15-18H,3-6,9-10,12-14H2,1-2H3,(H,27,28,29)