methyl 6-[[3-cyclohexyl-2-[7-cyclopropylsulfonyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[3-cyclohexyl-2-[7-cyclopropylsulfonyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[3-cyclohexyl-2-(7-cyclopropylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[3-cyclohexyl-2-(7-cyclopropylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-1-oxopropyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[3-cyclohexyl-2-(7-cyclopropylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[3-cyclohexyl-2-(7-cyclopropylsulfonyl-2,4-diketo-1H-quinazolin-3-yl)propanoyl]amino]nicotinic acid methyl ester Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C(=O)C4=C(C=C(C=C4)S(=O)(=O)C5CC5)NC3=O

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C(=O)C4=C(C=C(C=C4)S(=O)(=O)C5CC5)NC3=O

InChI

InChI=1S/C27H30N4O7S/c1-38-26(34)17-7-12-23(28-15-17)30-24(32)22(13-16-5-3-2-4-6-16)31-25(33)20-11-10-19(14-21(20)29-27(31)35)39(36,37)18-8-9-18/h7,10-12,14-16,18,22H,2-6,8-9,13H2,1H3,(H,29,35)(H,28,30,32)