3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-propylsulfanyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-propylsulfanyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-propylsulfanyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(propylthio)-4-pyrimido[5,4-b]indolone IUPAC Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-propylsulfanylpyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(propylthio)pyrimid[5,4-b]indol-4-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1CCO)N(C3=C2C=C(C=C3)OC)C

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1CCO)N(C3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C17H21N3O3S/c1-4-9-24-17-18-14-12-10-11(23-3)5-6-13(12)19(2)15(14)16(22)20(17)7-8-21/h5-6,10,21H,4,7-9H2,1-3H3