3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-keto-2-(4-pyrrolidinophenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C27H35N7O3 MolecularWeight: 505.6119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=C(C=C4)N5CCCC5)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=C(C=C4)N5CCCC5)C)C

InChI

InChI=1S/C27H35N7O3/c1-19(2)10-15-33-23-24(29-26(33)32-16-11-28-12-17-32)30(3)27(37)34(25(23)36)18-22(35)20-6-8-21(9-7-20)31-13-4-5-14-31/h6-10,28H,4-5,11-18H2,1-3H3