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

Systemtic Name: 3-methyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-3-methyl-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-3-methyl-9-(phenylmethyl)-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-3-methyl-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-3-methyl-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C19H19N5O4/c1-3-7-12-15(25)23(10-11-8-5-4-6-9-11)18-20-14-13(24(18)16(12)26)17(27)22(2)19(28)21-14/h4-6,8-9,25H,3,7,10H2,1-2H3,(H,21,28)