6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxidanylidene-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxamide

Systemtic Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxidanylidene-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxamide Openeye Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxo-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxamide CAS Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxo-3-quinazolinyl]-1-oxopropyl]amino]-3-pyridinecarboxamide IUPAC Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxoquinazolin-3-yl]propanoyl]amino]pyridine-3-carboxamide Traditional Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-keto-quinazolin-3-yl]propanoyl]amino]nicotinamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=C(C=C2)C(=O)N)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)CC5CC5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2=NC=C(C=C2)C(=O)N)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)CC5CC5

InChI

InChI=1S/C27H31N5O5S/c28-25(33)19-8-11-24(29-14-19)31-26(34)23(12-17-4-2-1-3-5-17)32-16-30-22-13-20(9-10-21(22)27(32)35)38(36,37)15-18-6-7-18/h8-11,13-14,16-18,23H,1-7,12,15H2,(H2,28,33)(H,29,31,34)