N-[2-(diethylamino)-3-methyl-butyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(diethylamino)-3-methyl-butyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(diethylamino)-3-methyl-butyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(diethylamino)-3-methylbutyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(diethylamino)-3-methylbutyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(diethylamino)-3-methyl-butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C(C)C

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C(C)C

InChI

InChI=1S/C21H30N4O2S/c1-6-11-25-20(27)16-10-9-15(12-17(16)23-21(25)28)19(26)22-13-18(14(4)5)24(7-2)8-3/h6,9-10,12,14,18H,1,7-8,11,13H2,2-5H3,(H,22,26)(H,23,28)