N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-6-methyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-6-methyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)-6-methyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-6-methyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)-6-methyl-2-(2-thienyl)cinchoninamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC(=O)N(C(=O)N3C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC(=O)N(C(=O)N3C)C)C4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c1-12-6-7-15-13(9-12)14(10-16(22-15)17-5-4-8-29-17)20(27)23-18-11-19(26)25(3)21(28)24(18)2/h4-11H,1-3H3,(H,23,27)