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

Systemtic Name: 1-methyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1-methyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-1-methyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-1-methyl-7-propyl-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)NC(=O)N3C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)NC(=O)N3C)CC4=CC=CC=C4)O

InChI

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