N4-(1,3-benzothiazol-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C18H16N6OS/c1-25-12-6-4-5-11(9-12)22-16-15(19)17(21-10-20-16)24-18-23-13-7-2-3-8-14(13)26-18/h2-10H,19H2,1H3,(H2,20,21,22,23,24)