N-cyclopropyl-4-methyl-3-[4-oxidanylidene-6-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-3-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[4-oxidanylidene-6-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-3-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-[4-(thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-3-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-[4-(4-thiazolylmethyl)-1-piperazinyl]-3-quinazolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-3-yl]benzamide Traditional Name: N-cyclopropyl-3-[4-keto-6-[4-(thiazol-4-ylmethyl)piperazino]quinazolin-3-yl]-4-methyl-benzamide Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)CC6=CSC=N6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)CC6=CSC=N6

InChI

InChI=1S/C27H28N6O2S/c1-18-2-3-19(26(34)30-20-4-5-20)12-25(18)33-16-28-24-7-6-22(13-23(24)27(33)35)32-10-8-31(9-11-32)14-21-15-36-17-29-21/h2-3,6-7,12-13,15-17,20H,4-5,8-11,14H2,1H3,(H,30,34)