4-methoxy-3-[[8-methoxy-5-methyl-4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[8-methoxy-5-methyl-4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]benzaldehyde Openeye Name: 3-[(3-benzyl-8-methoxy-5-methyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 4-methoxy-3-[[[8-methoxy-5-methyl-4-oxo-3-(phenylmethyl)-2-pyrimido[5,4-b]indolyl]thio]methyl]benzaldehyde IUPAC Name: 3-[(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[(3-benzyl-4-keto-8-methoxy-5-methyl-pyrimid[5,4-b]indol-2-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=C(C=CC(=C4)C=O)OC)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=C(C=CC(=C4)C=O)OC)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4S/c1-30-23-11-10-21(34-2)14-22(23)25-26(30)27(33)31(15-18-7-5-4-6-8-18)28(29-25)36-17-20-13-19(16-32)9-12-24(20)35-3/h4-14,16H,15,17H2,1-3H3