S-morpholin-4-yl N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]carbamothioate

Systemtic Name: S-morpholin-4-yl N-[2-[(3,4-dichlorophenyl)amino]-4-(methylamino)pyrimidin-5-yl]carbamothioate Openeye Name: S-morpholino N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]carbamothioate CAS Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)-5-pyrimidinyl]carbamothioic acid S-(4-morpholinyl) ester IUPAC Name: S-morpholin-4-yl N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]carbamothioate Traditional Name: N-[2-(3,4-dichloroanilino)-4-(methylamino)pyrimidin-5-yl]thiocarbamic acid S-morpholino ester Formula: C16H18Cl2N6O2S MolecularWeight: 429.32412

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1NC(=O)SN2CCOCC2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CNC1=NC(=NC=C1NC(=O)SN2CCOCC2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N6O2S/c1-19-14-13(22-16(25)27-24-4-6-26-7-5-24)9-20-15(23-14)21-10-2-3-11(17)12(18)8-10/h2-3,8-9H,4-7H2,1H3,(H,22,25)(H2,19,20,21,23)