3-(3-methoxypropyl)-4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=S

InChI

InChI=1S/C22H22N6O3S/c1-31-12-4-10-27-21(30)17-7-6-15(13-18(17)26-22(27)32)20(29)24-14-16-5-2-8-23-19(16)28-11-3-9-25-28/h2-3,5-9,11,13H,4,10,12,14H2,1H3,(H,24,29)(H,26,32)