3-methyl-8-[(4-methylphenyl)amino]-7-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)amino]-7-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(p-toluidino)propyl]-3-methyl-8-(p-toluidino)xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CN2C3=C(N=C2NC4=CC=C(C=C4)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CN2C3=C(N=C2NC4=CC=C(C=C4)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C23H26N6O3/c1-14-4-8-16(9-5-14)24-12-18(30)13-29-19-20(28(3)23(32)27-21(19)31)26-22(29)25-17-10-6-15(2)7-11-17/h4-11,18,24,30H,12-13H2,1-3H3,(H,25,26)(H,27,31,32)