N-cyclopropyl-4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]piperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]piperazine-1-carbothioamide Formula: C23H29N7O2S MolecularWeight: 467.58706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=S)NC5CC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=S)NC5CC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H29N7O2S/c1-15-5-4-6-16(13-15)14-30-18-19(26(2)23(32)27(3)20(18)31)25-21(30)28-9-11-29(12-10-28)22(33)24-17-7-8-17/h4-6,13,17H,7-12,14H2,1-3H3,(H,24,33)