2-ethylsulfanyl-8,8-dimethyl-5-pyridin-3-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-ethylsulfanyl-8,8-dimethyl-5-pyridin-3-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-ethylsulfanyl-8,8-dimethyl-5-(3-pyridyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(ethylthio)-8,8-dimethyl-5-(3-pyridinyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-ethylsulfanyl-8,8-dimethyl-5-pyridin-3-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(ethylthio)-8,8-dimethyl-5-(3-pyridyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CN=CC=C4)C(=O)CC(C3)(C)C

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CN=CC=C4)C(=O)CC(C3)(C)C

InChI

InChI=1S/C20H22N4O2S/c1-4-27-19-23-17-16(18(26)24-19)14(11-6-5-7-21-10-11)15-12(22-17)8-20(2,3)9-13(15)25/h5-7,10,14H,4,8-9H2,1-3H3,(H2,22,23,24,26)