diethyl-[2-[7-(3-methylpiperidin-1-yl)carbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[7-(3-methylpiperidin-1-yl)carbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-(3-methylpiperidine-1-carbonyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[(3-methyl-1-piperidinyl)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-(3-methylpiperidine-1-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-(3-methylpiperidine-1-carbonyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C)NC1=S

InChI

InChI=1S/C21H30N4O2S/c1-4-23(5-2)11-12-25-20(27)17-9-8-16(13-18(17)22-21(25)28)19(26)24-10-6-7-15(3)14-24/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,22,28)/p+1