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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C21H25N7O/c1-29-18-6-4-17(5-7-18)27-9-11-28(12-10-27)21-19(22)20(25-15-26-21)24-14-16-3-2-8-23-13-16/h2-8,13,15H,9-12,14,22H2,1H3,(H,24,25,26)