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

Systemtic Name: 8-oxidanyl-9-(phenylmethyl)-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-9-(phenylmethyl)-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-7-propyl-1H-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-2-6-11-15(25)22(9-10-7-4-3-5-8-10)18-20-13-12(23(18)16(11)26)14(24)21-17(27)19-13/h3-5,7-8,25H,2,6,9H2,1H3,(H2,19,21,24,27)