6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[4-(4-methyl-1-piperazinyl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[4-keto-4-(4-methylpiperazino)butyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C)OCC

InChI

InChI=1S/C21H30N4O4S/c1-4-28-17-13-15-16(14-18(17)29-5-2)22-21(30)25(20(15)27)8-6-7-19(26)24-11-9-23(3)10-12-24/h13-14H,4-12H2,1-3H3,(H,22,30)