4-[(4-methoxyphenyl)amino]-7,7-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-6,8-dihydroquinazolin-5-one

Systemtic Name: 4-[(4-methoxyphenyl)amino]-7,7-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-6,8-dihydroquinazolin-5-one Openeye Name: 4-(4-methoxyanilino)-7,7-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-6,8-dihydroquinazolin-5-one CAS Name: 4-(4-methoxyanilino)-7,7-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-6,8-dihydroquinazolin-5-one IUPAC Name: 4-(4-methoxyanilino)-7,7-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-6,8-dihydroquinazolin-5-one Traditional Name: 7,7-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-4-(p-anisidino)-6,8-dihydroquinazolin-5-one Formula: C22H30N5O2+ MolecularWeight: 396.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CC[NH+](CC3)C)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CC[NH+](CC3)C)NC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H29N5O2/c1-22(2)13-17-19(18(28)14-22)20(23-15-5-7-16(29-4)8-6-15)25-21(24-17)27-11-9-26(3)10-12-27/h5-8H,9-14H2,1-4H3,(H,23,24,25)/p+1