6-(4-phenylpiperazin-1-yl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(4-phenylpiperazin-1-yl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-phenylpiperazin-1-yl)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-(4-phenyl-1-piperazinyl)-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-phenylpiperazin-1-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-phenylpiperazino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H23N7 MolecularWeight: 361.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C20H23N7/c21-18-19(23-14-16-5-4-8-22-13-16)24-15-25-20(18)27-11-9-26(10-12-27)17-6-2-1-3-7-17/h1-8,13,15H,9-12,14,21H2,(H,23,24,25)