3-ethyl-8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-ethyl-8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-8-methoxy-5-methyl-2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-4-pyrimido[5,4-b]indolone IUPAC Name: 3-ethyl-8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanylpyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)N4CCOC5=C4C=C(C=C5)C

Isomeric SMILES

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)N4CCOC5=C4C=C(C=C5)C

InChI

InChI=1S/C25H26N4O4S/c1-5-28-24(31)23-22(17-13-16(32-4)7-8-18(17)27(23)3)26-25(28)34-14-21(30)29-10-11-33-20-9-6-15(2)12-19(20)29/h6-9,12-13H,5,10-11,14H2,1-4H3