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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]-4-methyl-piperazine-1-carboxamide Formula: C17H21Cl2N7O MolecularWeight: 410.30094

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)N2CCN(CC2)C)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)N2CCN(CC2)C)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2N7O/c1-20-15-14(23-17(27)26-7-5-25(2)6-8-26)10-21-16(24-15)22-11-3-4-12(18)13(19)9-11/h3-4,9-10H,5-8H2,1-2H3,(H,23,27)(H2,20,21,22,24)