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

Systemtic Name: 3-[2-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: diethyl-[3-[2-[(1R)-1-methyl-2-oxo-2-ureido-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: 3-[2-[[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: diethyl-[3-[4-keto-2-[[(1R)-2-keto-1-methyl-2-ureido-ethyl]thio]quinazolin-3-yl]propyl]ammonium Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3S/c1-4-23(5-2)11-8-12-24-17(26)14-9-6-7-10-15(14)21-19(24)28-13(3)16(25)22-18(20)27/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H3,20,22,25,27)/p+1/t13-/m1/s1