N'-(4,6-dimethylpyrimidin-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-N'-(4,6-dimethylpyrimidin-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-N'-(4,6-dimethylpyrimidin-2-yl)-4-keto-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C

InChI

InChI=1S/C18H18N6O2S/c1-4-7-24-16(26)13-6-5-12(9-14(13)21-18(24)27)15(25)22-23-17-19-10(2)8-11(3)20-17/h4-6,8-9H,1,7H2,2-3H3,(H,21,27)(H,22,25)(H,19,20,23)