2-(1,3-benzothiazol-2-ylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1,3-benzothiazol-2-ylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C19H13N5O2S/c1-26-12-8-6-11(7-9-12)16-13(10-20)17(25)23-18(22-16)24-19-21-14-4-2-3-5-15(14)27-19/h2-9H,1H3,(H2,21,22,23,24,25)