1-ethyl-8-[[1-(hydroxymethyl)cyclopent-3-en-1-yl]amino]-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 1-ethyl-8-[[1-(hydroxymethyl)cyclopent-3-en-1-yl]amino]-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-ethyl-8-[[1-(hydroxymethyl)cyclopent-3-en-1-yl]amino]-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-ethyl-8-[[1-(hydroxymethyl)-1-cyclopent-3-enyl]amino]-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-ethyl-8-[[1-(hydroxymethyl)cyclopent-3-en-1-yl]amino]-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-ethyl-3-methyl-8-[(1-methylolcyclopent-3-en-1-yl)amino]-7-p-anisyl-xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4(CC=CC4)CO)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4(CC=CC4)CO)N(C1=O)C

InChI

InChI=1S/C22H27N5O4/c1-4-26-19(29)17-18(25(2)21(26)30)23-20(24-22(14-28)11-5-6-12-22)27(17)13-15-7-9-16(31-3)10-8-15/h5-10,28H,4,11-14H2,1-3H3,(H,23,24)