1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-methylbutylthio)-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CS3

Isomeric SMILES

CC(C)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CS3

InChI

InChI=1S/C17H20N4O2S2/c1-10(2)7-9-25-15-12-14(20(3)17(23)21(4)16(12)22)18-13(19-15)11-6-5-8-24-11/h5-6,8,10H,7,9H2,1-4H3