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

Systemtic Name: 6-butoxy-1,3-dimethyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-benzyl-6-butoxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-butoxy-1,3-dimethyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-benzyl-6-butoxy-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-benzyl-6-butoxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)CCC

Isomeric SMILES

CCCCOC1=C(C(=O)N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)CCC

InChI

InChI=1S/C24H29N5O4/c1-5-7-14-33-22-17(11-6-2)20(30)28(15-16-12-9-8-10-13-16)23-25-19-18(29(22)23)21(31)27(4)24(32)26(19)3/h8-10,12-13H,5-7,11,14-15H2,1-4H3