4,5,6-trimethyl-2-[2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C21H23N5O3S/c1-11-12(2)18(19(22)28)21(23-13(11)3)30-10-17(27)26(4)9-16-24-15-8-6-5-7-14(15)20(29)25-16/h5-8H,9-10H2,1-4H3,(H2,22,28)(H,24,25,29)