3-[2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CC3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C21H30N4O2S/c1-4-24(5-2)13-8-14-25-20(27)17-9-6-7-10-18(17)23-21(25)28-15(3)19(26)22-16-11-12-16/h6-7,9-10,15-16H,4-5,8,11-14H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1