1-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C26H27N7O5S MolecularWeight: 549.60148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC5=CC=CO5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC5=CC=CO5)N

InChI

InChI=1S/C26H27N7O5S/c1-15-11-21(27)30-33(15)22(34)14-39-26-29-20-12-17(24(36)31-8-6-16(7-9-31)23(28)35)4-5-19(20)25(37)32(26)13-18-3-2-10-38-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H2,27,30)(H2,28,35)