3-(2-diethylaminoethyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-diethylaminoethyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-diethylaminoethyl)-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-diethylaminoethyl)-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-diethylaminoethyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-diethylaminoethyl)-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)NC1=S

InChI

InChI=1S/C21H25N5O2S/c1-3-25(4-2)10-11-26-20(28)17-8-7-16(12-18(17)24-21(26)29)19(27)23-14-15-6-5-9-22-13-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,27)(H,24,29)