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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-propyl-9-(thiophen-2-ylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(thiophen-2-ylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(thiophen-2-ylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-thenyl)-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C18H21N5O3S MolecularWeight: 387.45604

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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=CS4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CS4)O

InChI

InChI=1S/C18H21N5O3S/c1-4-6-12-15(24)22(9-11-7-5-8-27-11)18-19-14-13(23(18)16(12)25)17(26)21(3)10-20(14)2/h5,7-8,24H,4,6,9-10H2,1-3H3