2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NN=C(S3)C(C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NN=C(S3)C(C)C)N

InChI

InChI=1S/C18H20N6O2S2/c1-10(2)16-22-23-17(28-16)20-15(26)9-27-18-21-14(25)8-13(19)24(18)12-6-4-5-11(3)7-12/h4-8,10H,9,19H2,1-3H3,(H,20,23,26)