4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butanoic acid

Systemtic Name: 4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butanoic acid Openeye Name: 4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butanoic acid CAS Name: 4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butanoic acid IUPAC Name: 4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butanoic acid Traditional Name: 4-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]butyric acid Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)NCCCC(=O)O)C

Isomeric SMILES

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)NCCCC(=O)O)C

InChI

InChI=1S/C17H22N4O3S/c1-17(2)7-10(18-6-4-5-12(22)23)14-11(8-17)21-13-15(24-3)19-9-20-16(13)25-14/h9,18H,4-8H2,1-3H3,(H,22,23)