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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]pyrrolidine-1-carboxamide Openeye Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]pyrrolidine-1-carboxamide CAS Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]pyrrolidine-1-carboxamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]pyrrolidine-1-carboxamide Formula: C16H18Cl2N6O MolecularWeight: 381.25972

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)N2CCCC2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)N2CCCC2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N6O/c1-19-14-13(22-16(25)24-6-2-3-7-24)9-20-15(23-14)21-10-4-5-11(17)12(18)8-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,22,25)(H2,19,20,21,23)