2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(3,3-diethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(3,3-diethoxypropyl)quinazolin-4-one Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C(=CC(=N3)N)C)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C(=CC(=N3)N)C)OCC

InChI

InChI=1S/C21H27N5O4S/c1-4-29-19(30-5-2)10-11-25-20(28)15-8-6-7-9-16(15)23-21(25)31-13-18(27)26-14(3)12-17(22)24-26/h6-9,12,19H,4-5,10-11,13H2,1-3H3,(H2,22,24)