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

Systemtic Name: 1,3-dimethyl-9-[(4-nitrophenyl)methyl]-8-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-9-[(4-nitrophenyl)methyl]-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-9-[(4-nitrophenyl)methyl]-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-9-[(4-nitrophenyl)methyl]-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-9-(4-nitrobenzyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N6O6/c1-4-5-13-16(27)24(10-11-6-8-12(9-7-11)26(31)32)19-21-15-14(25(19)17(13)28)18(29)23(3)20(30)22(15)2/h6-9,27H,4-5,10H2,1-3H3