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

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

InChI

InChI=1S/C20H24N6O2S2/c1-4-5-9-17-24-25-19(30-17)23-18(28)13(3)29-20-22-16(27)11-15(21)26(20)14-8-6-7-12(2)10-14/h6-8,10-11,13H,4-5,9,21H2,1-3H3,(H,23,25,28)