1,3-diethyl-7-methyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 1,3-diethyl-7-methyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-diethyl-8-hydroxy-7-methyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C20H21N5O4/c1-4-22-15-14(18(28)23(5-2)20(22)29)25-17(27)12(3)16(26)24(19(25)21-15)11-13-9-7-6-8-10-13/h6-10,26H,4-5,11H2,1-3H3