8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H28N6O3/c1-4-25(5-2)12-11-21-19-22-17-16(18(27)23-20(28)24(17)3)26(19)13-14-29-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,21,22)(H,23,27,28)