4-azanyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]pyrimidine-5-carbonitrile Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC=C(C(=N3)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC=C(C(=N3)N)C#N)OC

InChI

InChI=1S/C17H15N5O2S2/c1-23-13-4-3-10(5-14(13)24-2)16-21-12(8-25-16)9-26-17-20-7-11(6-18)15(19)22-17/h3-5,7-8H,9H2,1-2H3,(H2,19,20,22)