N-[5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidin-4-yl]azepan-2-amine

Systemtic Name: N-[5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidin-4-yl]azepan-2-amine Openeye Name: N-[5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidin-4-yl]azepan-2-amine CAS Name: N-[5-(aminomethyl)-6-(2,4-dichlorophenyl)-4-pyrimidinyl]-2-azepanamine IUPAC Name: N-[5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidin-4-yl]azepan-2-amine Traditional Name: [5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidin-4-yl]-(azepan-2-yl)amine Formula: C17H21Cl2N5 MolecularWeight: 366.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)NC2=NC=NC(=C2CN)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(NCC1)NC2=NC=NC(=C2CN)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2N5/c18-11-5-6-12(14(19)8-11)16-13(9-20)17(23-10-22-16)24-15-4-2-1-3-7-21-15/h5-6,8,10,15,21H,1-4,7,9,20H2,(H,22,23,24)