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

Systemtic Name: 2-[2-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[(1R)-1-methyl-2-oxo-2-ureido-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[(1R)-2-keto-1-methyl-2-ureido-ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C20H29N5O3S/c1-12(2)24(13(3)4)10-11-25-18(27)15-8-6-7-9-16(15)22-20(25)29-14(5)17(26)23-19(21)28/h6-9,12-14H,10-11H2,1-5H3,(H3,21,23,26,28)/p+1/t14-/m1/s1