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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-propyl-9-(1,3-thiazol-2-yl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-thiazol-2-yl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-thiazolyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(1,3-thiazol-2-yl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-thiazol-2-yl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C16H16N6O4S MolecularWeight: 388.40104

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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)C4=NC=CS4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)C4=NC=CS4)O

InChI

InChI=1S/C16H16N6O4S/c1-4-5-8-11(23)21-9-10(19(2)16(26)20(3)13(9)25)18-14(21)22(12(8)24)15-17-6-7-27-15/h6-7,24H,4-5H2,1-3H3