methyl 4-(7-bromanyl-10-hexyl-phenothiazin-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(7-bromanyl-10-hexyl-phenothiazin-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(7-bromo-10-hexyl-phenothiazin-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(7-bromo-10-hexyl-3-phenothiazinyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(7-bromo-10-hexylphenothiazin-3-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(7-bromo-10-hexyl-phenothiazin-3-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C25H28BrN3O2S2 MolecularWeight: 546.54272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3C(=C(NC(=S)N3)C)C(=O)OC)SC4=C1C=CC(=C4)Br

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3C(=C(NC(=S)N3)C)C(=O)OC)SC4=C1C=CC(=C4)Br

InChI

InChI=1S/C25H28BrN3O2S2/c1-4-5-6-7-12-29-18-10-8-16(13-20(18)33-21-14-17(26)9-11-19(21)29)23-22(24(30)31-3)15(2)27-25(32)28-23/h8-11,13-14,23H,4-7,12H2,1-3H3,(H2,27,28,32)