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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C20H23N5O3/c1-4-8-14-17(26)24(11-13-9-6-5-7-10-13)20-21-16-15(25(20)18(14)27)19(28)23(3)12-22(16)2/h5-7,9-10,26H,4,8,11-12H2,1-3H3