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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-4-8-13-16(26)24(11-12-9-6-5-7-10-12)19-21-15-14(25(19)17(13)27)18(28)23(3)20(29)22(15)2/h5-7,9-10,26H,4,8,11H2,1-3H3