N4-(2-diethylaminoethyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,4-diamine

Systemtic Name: N4-(2-diethylaminoethyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,4-diamine Openeye Name: N4-(2-diethylaminoethyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,4-diamine CAS Name: N4-(2-diethylaminoethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 4-N-(2-diethylaminoethyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazoline-2,4-diamine Traditional Name: diethyl-[2-[[2-[4-(4-methylpiperazino)anilino]quinazolin-4-yl]amino]ethyl]amine Formula: C25H35N7 MolecularWeight: 433.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H35N7/c1-4-31(5-2)15-14-26-24-22-8-6-7-9-23(22)28-25(29-24)27-20-10-12-21(13-11-20)32-18-16-30(3)17-19-32/h6-13H,4-5,14-19H2,1-3H3,(H2,26,27,28,29)