3-[2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

C[C@H](C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C20H28N4O2S/c1-14(15-9-10-15)21-18(25)13-27-20-22-17-8-5-4-7-16(17)19(26)24(20)12-6-11-23(2)3/h4-5,7-8,14-15H,6,9-13H2,1-3H3,(H,21,25)/p+1/t14-/m1/s1