3-(3-methoxypropyl)-4-oxidanylidene-N-(6-pyrrolidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(6-pyrrolidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(6-pyrrolidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(6-pyrrolidino-3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)NC1=S

InChI

InChI=1S/C22H25N5O3S/c1-30-12-4-11-27-21(29)17-7-5-15(13-18(17)25-22(27)31)20(28)24-16-6-8-19(23-14-16)26-9-2-3-10-26/h5-8,13-14H,2-4,9-12H2,1H3,(H,24,28)(H,25,31)