8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H30N6O3/c1-5-26(6-2)14-12-22-20-23-18-17(19(28)24-21(29)25(18)3)27(20)13-11-15-7-9-16(30-4)10-8-15/h7-10H,5-6,11-14H2,1-4H3,(H,22,23)(H,24,28,29)