N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3-quinazolinyl]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[3-[4-keto-6-(4-methylpiperazino)quinazolin-3-yl]-4-methyl-phenyl]-2-morpholino-isonicotinamide Formula: C30H33N7O3 MolecularWeight: 539.62812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)N4C=NC5=C(C4=O)C=C(C=C5)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)N4C=NC5=C(C4=O)C=C(C=C5)N6CCN(CC6)C

InChI

InChI=1S/C30H33N7O3/c1-21-3-4-23(33-29(38)22-7-8-31-28(17-22)36-13-15-40-16-14-36)18-27(21)37-20-32-26-6-5-24(19-25(26)30(37)39)35-11-9-34(2)10-12-35/h3-8,17-20H,9-16H2,1-2H3,(H,33,38)