8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(1-phenylethyl)xanthine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)13-12-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)14(3)15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3,(H,21,22)(H,23,27,28)