4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide

Systemtic Name: 4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide Openeye Name: 4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide CAS Name: 4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorophenyl)methylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide Traditional Name: 4-[[4-(aminomethyl)cyclohexyl]methylamino]-2-[(2-chlorobenzyl)amino]pyrimidine-5-carboxamide Formula: C20H27ClN6O MolecularWeight: 402.92098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2C(=O)N)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2C(=O)N)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H27ClN6O/c21-17-4-2-1-3-15(17)11-25-20-26-12-16(18(23)28)19(27-20)24-10-14-7-5-13(9-22)6-8-14/h1-4,12-14H,5-11,22H2,(H2,23,28)(H2,24,25,26,27)