2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; oxolane; dihydrate

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; oxolane; dihydrate Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; tetrahydrofuran; dihydrate CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; oxolane; dihydrate IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; oxolane; dihydrate Traditional Name: 2-methyl-4-(4-methylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine; tetrahydrofuran; dihydrate Formula: C38H52N8O3S2 MolecularWeight: 733.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1CCOC1.O.O

Isomeric SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1CCOC1.O.O

InChI

InChI=1S/2C17H20N4S.C4H8O.2H2O/c2*1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;1-2-4-5-3-1;;/h2*3-6,11,18H,7-10H2,1-2H3;1-4H2;2*1H2