N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]azepane-1-carboxamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]azepane-1-carboxamide Openeye Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]azepane-1-carboxamide CAS Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]-1-azepanecarboxamide IUPAC Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]azepane-1-carboxamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]azepane-1-carboxamide Formula: C18H22Cl2N6O MolecularWeight: 409.31288

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)N2CCCCCC2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)N2CCCCCC2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H22Cl2N6O/c1-21-16-15(24-18(27)26-8-4-2-3-5-9-26)11-22-17(25-16)23-12-6-7-13(19)14(20)10-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,24,27)(H2,21,22,23,25)