3-[3-(dimethylamino)propyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[3-(dimethylamino)propyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[3-(dimethylamino)propyl]-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(dimethylamino)propyl]-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[3-(dimethylamino)propyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-[3-(dimethylamino)propyl]-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN(C)C

InChI

InChI=1S/C21H30N4O2S/c1-16-8-6-12-24(14-16)19(26)15-28-21-22-18-10-5-4-9-17(18)20(27)25(21)13-7-11-23(2)3/h4-5,9-10,16H,6-8,11-15H2,1-3H3/t16-/m0/s1