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

Systemtic Name: 1-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]urea Openeye Name: [2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]urea CAS Name: [2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]urea IUPAC Name: [2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]urea Traditional Name: [2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]urea Formula: C12H12Cl2N6O MolecularWeight: 327.16928

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)N)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)N)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H12Cl2N6O/c1-16-10-9(19-11(15)21)5-17-12(20-10)18-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H3,15,19,21)(H2,16,17,18,20)