methyl 4-oxidanylidene-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H17N5O3S2/c1-3-6-17-15-20-21-16(26-15)25-8-12-18-11-7-9(14(23)24-2)4-5-10(11)13(22)19-12/h4-5,7H,3,6,8H2,1-2H3,(H,17,20)(H,18,19,22)