7-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H22N6O3S/c1-23-4-6-24(7-5-23)17(18-3-2-8-29-18)11-20-15-10-14-13(9-16(15)25(27)28)19(26)22-12-21-14/h2-3,8-10,12,17,20H,4-7,11H2,1H3,(H,21,22,26)