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

Systemtic Name: 9-butyl-1,3-diethyl-8-oxidanyl-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-benzyl-9-butyl-1,3-diethyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-butyl-1,3-diethyl-8-hydroxy-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-benzyl-9-butyl-1,3-diethyl-8-hydroxypurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-benzyl-9-butyl-1,3-diethyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O4/c1-4-7-13-27-19(29)16(14-15-11-9-8-10-12-15)20(30)28-17-18(24-22(27)28)25(5-2)23(32)26(6-3)21(17)31/h8-12,29H,4-7,13-14H2,1-3H3