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

Systemtic Name: 3-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)propionamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-28-13-4-5-15-14(9-13)17-18(23-15)19(27)25(20(29)24-17)8-6-16(26)22-11-12-3-2-7-21-10-12/h2-5,7,9-10,23H,6,8,11H2,1H3,(H,22,26)(H,24,29)