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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C21H23FN6O MolecularWeight: 394.445323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN6O/c1-29-18-4-2-3-16(13-18)26-20-19(23)21(25-14-24-20)28-11-9-27(10-12-28)17-7-5-15(22)6-8-17/h2-8,13-14H,9-12,23H2,1H3,(H,24,25,26)