7-methoxy-8-pentoxy-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-methoxy-8-pentoxy-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-methoxy-8-pentoxy-3-[2-(4-pyridyl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-methoxy-8-pentoxy-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-methoxy-8-pentoxy-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 8-amoxy-7-methoxy-3-[2-(4-pyridyl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1NC(=S)N(C2=O)CCC3=CC=NC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1NC(=S)N(C2=O)CCC3=CC=NC=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-3-4-5-14-27-19-17(26-2)7-6-16-18(19)23-21(28)24(20(16)25)13-10-15-8-11-22-12-9-15/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,23,28)