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

Systemtic Name: 6-(azepan-1-yl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H22N6 MolecularWeight: 298.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H22N6/c17-14-15(19-11-13-6-5-7-18-10-13)20-12-21-16(14)22-8-3-1-2-4-9-22/h5-7,10,12H,1-4,8-9,11,17H2,(H,19,20,21)