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

Systemtic Name: 8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-3-propyl-pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-5-methyl-2-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-3-propyl-4-pyrimido[5,4-b]indolone IUPAC Name: 8-methoxy-5-methyl-2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl-3-propylpyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-8-methoxy-5-methyl-3-propyl-pyrimid[5,4-b]indol-4-one Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)N4CCOC5=C4C=C(C=C5)C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)N4CCOC5=C4C=C(C=C5)C

InChI

InChI=1S/C26H28N4O4S/c1-5-10-30-25(32)24-23(18-14-17(33-4)7-8-19(18)28(24)3)27-26(30)35-15-22(31)29-11-12-34-21-9-6-16(2)13-20(21)29/h6-9,13-14H,5,10-12,15H2,1-4H3