N4-heptyl-N4,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine

Systemtic Name: N4-heptyl-N4,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine Openeye Name: N4-heptyl-N4,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine CAS Name: N4-heptyl-N4,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine IUPAC Name: 4-N-heptyl-4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine Traditional Name: (9-amino-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-4-yl)-heptyl-methyl-amine Formula: C20H31N5S MolecularWeight: 373.55864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N

Isomeric SMILES

CCCCCCCN(C)C1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N

InChI

InChI=1S/C20H31N5S/c1-5-6-7-8-9-10-25(4)18-16-19(23-13-22-18)26-17-14(21)11-20(2,3)12-15(17)24-16/h13H,5-12,21H2,1-4H3