[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-phenothiazin-10-ylpropanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H22N6O2S/c1-26(2)21-24-18(23-20(22)25-21)13-29-19(28)11-12-27-14-7-3-5-9-16(14)30-17-10-6-4-8-15(17)27/h3-10H,11-13H2,1-2H3,(H2,22,23,24,25)