3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(2R)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CCN(CC3)CC

InChI

InChI=1S/C21H30N4O2S/c1-5-15(3)25-20(27)17-9-7-8-10-18(17)22-21(25)28-16(4)19(26)24-13-11-23(6-2)12-14-24/h7-10,15-16H,5-6,11-14H2,1-4H3/t15-,16+/m0/s1