diethyl-[2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl]azanium Openeye Name: 2-[2-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[4-oxo-2-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-3-quinazolinyl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-2-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazolin-3-yl]ethyl]azanium Traditional Name: 2-[2-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC=C

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C20H28N4O2S/c1-5-12-21-18(25)15(4)27-20-22-17-11-9-8-10-16(17)19(26)24(20)14-13-23(6-2)7-3/h5,8-11,15H,1,6-7,12-14H2,2-4H3,(H,21,25)/p+1/t15-/m1/s1