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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]-4-ethanoyl-piperazine-1-carboxamide Openeye Name: 4-acetyl-N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide CAS Name: 4-acetyl-N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-acetyl-N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide Traditional Name: 4-acetyl-N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]piperazine-1-carboxamide Formula: C18H21Cl2N7O2 MolecularWeight: 438.31104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N=C2NC)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N=C2NC)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N7O2/c1-11(28)26-5-7-27(8-6-26)18(29)24-15-10-22-17(25-16(15)21-2)23-12-3-4-13(19)14(20)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,24,29)(H2,21,22,23,25)