[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C20H24N6O2S/c21-18-24-15(25-19(22)26-18)12-28-17(27)11-20(8-4-1-5-9-20)10-16-23-13-6-2-3-7-14(13)29-16/h2-3,6-7H,1,4-5,8-12H2,(H4,21,22,24,25,26)