4-[(5,6-dimethyl-4-phenylsulfanyl-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(5,6-dimethyl-4-phenylsulfanyl-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Openeye Name: 4-[(5,6-dimethyl-4-phenylsulfanyl-thieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium CAS Name: 4-[[5,6-dimethyl-4-(phenylthio)-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[(5,6-dimethyl-4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium Traditional Name: 4-[[5,6-dimethyl-4-(phenylthio)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCOCC3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCOCC3)SC4=CC=CC=C4)C

InChI

InChI=1S/C19H21N3OS2/c1-13-14(2)24-18-17(13)19(25-15-6-4-3-5-7-15)21-16(20-18)12-22-8-10-23-11-9-22/h3-7H,8-12H2,1-2H3/p+1