2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: N-(2-oxolanylmethyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(tetrahydrofurfuryl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4CCCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4CCCO4

InChI

InChI=1S/C20H22N4O3S/c1-2-9-24-19(26)18-17(14-7-3-4-8-15(14)22-18)23-20(24)28-12-16(25)21-11-13-6-5-10-27-13/h2-4,7-8,13,22H,1,5-6,9-12H2,(H,21,25)