6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H23ClN6O/c1-29-18-7-3-5-16(13-18)26-20-19(23)21(25-14-24-20)28-10-8-27(9-11-28)17-6-2-4-15(22)12-17/h2-7,12-14H,8-11,23H2,1H3,(H,24,25,26)