7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[3-(3,4-dimethoxyphenyl)propylamino]-3-methyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H29N5O4/c1-5-6-12-26-17-18(25(2)21(28)24-19(17)27)23-20(26)22-11-7-8-14-9-10-15(29-3)16(13-14)30-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,22,23)(H,24,27,28)