7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione Traditional Name: 8-(5-keto-3-methyl-2-pyrazolin-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H20N6O4/c1-11-10-14(26)25(22-11)18-20-16-15(17(27)21-19(28)23(16)2)24(18)9-8-12-4-6-13(29-3)7-5-12/h4-7H,8-10H2,1-3H3,(H,21,27,28)