2-[5-[(2-cyclopropylhydrazinyl)methyl]-2-methyl-phenyl]carbonyl-9-methyl-7-(2-methylphenyl)purin-8-one

Systemtic Name: 2-[5-[(2-cyclopropylhydrazinyl)methyl]-2-methyl-phenyl]carbonyl-9-methyl-7-(2-methylphenyl)purin-8-one Openeye Name: 2-[5-[(2-cyclopropylhydrazino)methyl]-2-methyl-benzoyl]-9-methyl-7-(o-tolyl)purin-8-one CAS Name: 2-[[5-[(cyclopropylhydrazo)methyl]-2-methylphenyl]-oxomethyl]-9-methyl-7-(2-methylphenyl)-8-purinone IUPAC Name: 2-[5-[(2-cyclopropylhydrazinyl)methyl]-2-methylbenzoyl]-9-methyl-7-(2-methylphenyl)purin-8-one Traditional Name: 2-[5-[(N'-cyclopropylhydrazino)methyl]-2-methyl-benzoyl]-9-methyl-7-(o-tolyl)purin-8-one Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNNC2CC2)C(=O)C3=NC=C4C(=N3)N(C(=O)N4C5=CC=CC=C5C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNNC2CC2)C(=O)C3=NC=C4C(=N3)N(C(=O)N4C5=CC=CC=C5C)C

InChI

InChI=1S/C25H26N6O2/c1-15-8-9-17(13-27-29-18-10-11-18)12-19(15)22(32)23-26-14-21-24(28-23)30(3)25(33)31(21)20-7-5-4-6-16(20)2/h4-9,12,14,18,27,29H,10-11,13H2,1-3H3