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

Systemtic Name: 1,3,7-trimethyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-1,3,7-trimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3,7-trimethyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3,7-trimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-1,3,7-trimethyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C18H19N5O3/c1-11-15(24)22(9-12-7-5-4-6-8-12)18-19-14-13(23(18)16(11)25)17(26)21(3)10-20(14)2/h4-8,24H,9-10H2,1-3H3