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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-thenyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C18H19N5O4S MolecularWeight: 401.43956

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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=CS4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CS4)O

InChI

InChI=1S/C18H19N5O4S/c1-4-6-11-14(24)22(9-10-7-5-8-28-10)17-19-13-12(23(17)15(11)25)16(26)21(3)18(27)20(13)2/h5,7-8,24H,4,6,9H2,1-3H3