S-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl] 3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl] 3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl] 3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 3,4-dihydro-2H-quinoline-1-carbothioic acid S-[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl] ester IUPAC Name: S-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl] 3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 3,4-dihydro-2H-quinoline-1-carbothioic acid S-[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl] ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(=O)N3CCCC4=CC=CC=C43)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(=O)N3CCCC4=CC=CC=C43)N

InChI

InChI=1S/C21H20N4O2S/c1-14-6-4-9-16(12-14)25-18(22)13-19(26)23-20(25)28-21(27)24-11-5-8-15-7-2-3-10-17(15)24/h2-4,6-7,9-10,12-13H,5,8,11,22H2,1H3