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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide CAS Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide Formula: C16H19Cl2N7O MolecularWeight: 396.27436

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)N2CCNCC2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)N2CCNCC2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H19Cl2N7O/c1-19-14-13(23-16(26)25-6-4-20-5-7-25)9-21-15(24-14)22-10-2-3-11(17)12(18)8-10/h2-3,8-9,20H,4-7H2,1H3,(H,23,26)(H2,19,21,22,24)