1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-methoxy-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-methoxythioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-methylol-thioxanthen-9-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-4-23(5-2)11-10-22-17-8-6-14(13-24)21-19(17)20(25)16-12-15(26-3)7-9-18(16)27-21/h6-9,12,22,24H,4-5,10-11,13H2,1-3H3