2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-[(4-methoxyphenyl)amino]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-[(4-methoxyphenyl)amino]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-(p-anisidino)-7,8-dihydro-6H-quinazolin-5-one Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)CCC3)N4CC[NH+](CC4)CCO

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)CCC3)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H27N5O3/c1-29-16-7-5-15(6-8-16)22-20-19-17(3-2-4-18(19)28)23-21(24-20)26-11-9-25(10-12-26)13-14-27/h5-8,27H,2-4,9-14H2,1H3,(H,22,23,24)/p+1