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

Systemtic Name: 1-methyl-8-oxidanyl-3-phenyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1-methyl-3-phenyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1-methyl-3-phenyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-1-methyl-3-phenyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-1-methyl-3-phenyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C4=CC=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C4=CC=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H23N5O4/c1-3-10-18-21(31)28(15-16-11-6-4-7-12-16)24-26-20-19(30(24)22(18)32)23(33)29(25(34)27(20)2)17-13-8-5-9-14-17/h4-9,11-14,31H,3,10,15H2,1-2H3