3-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C=O)OC)C

InChI

InChI=1S/C25H26N4O3S/c1-17-13-18(2)29(27-17)12-6-11-28-24(31)21-7-4-5-8-22(21)26-25(28)33-16-20-14-19(15-30)9-10-23(20)32-3/h4-5,7-10,13-15H,6,11-12,16H2,1-3H3