N4-(1,3-benzothiazol-6-yl)-6-(5-chloranyl-2-methoxy-phenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(1,3-benzothiazol-6-yl)-6-(5-chloranyl-2-methoxy-phenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1,3-benzothiazol-6-yl)-6-(5-chloro-2-methoxy-phenyl)pyrimidine-2,4-diamine CAS Name: N4-(1,3-benzothiazol-6-yl)-6-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1,3-benzothiazol-6-yl)-6-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(5-chloro-2-methoxy-phenyl)pyrimidin-4-yl]-(1,3-benzothiazol-6-yl)amine Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H14ClN5OS/c1-25-15-5-2-10(19)6-12(15)14-8-17(24-18(20)23-14)22-11-3-4-13-16(7-11)26-9-21-13/h2-9H,1H3,(H3,20,22,23,24)