4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-quinazolin-4-yl]thiomorpholine

Systemtic Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-quinazolin-4-yl]thiomorpholine Openeye Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-quinazolin-4-yl]thiomorpholine CAS Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-methyl-4-quinazolinyl]thiomorpholine IUPAC Name: 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methylquinazolin-4-yl]thiomorpholine Traditional Name: 4-[6-methyl-2-[(4-piperonylpiperazino)methyl]quinazolin-4-yl]thiomorpholine Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H31N5O2S/c1-19-2-4-22-21(14-19)26(31-10-12-34-13-11-31)28-25(27-22)17-30-8-6-29(7-9-30)16-20-3-5-23-24(15-20)33-18-32-23/h2-5,14-15H,6-13,16-18H2,1H3