2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)acetamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C19H17N5O3S/c1-27-12-4-5-14-13(7-12)16-17(22-14)18(26)24(19(28)23-16)10-15(25)21-9-11-3-2-6-20-8-11/h2-8,22H,9-10H2,1H3,(H,21,25)(H,23,28)