ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazin-1-yl)carbothioylsulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazin-1-yl)carbothioylsulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(4-methylpiperazine-1-carbothioyl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCN(CC2)C)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCN(CC2)C)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N6O3S2/c1-3-29-18(28)14-12-22-19(25-20-24-15-6-4-5-7-17(15)30-20)23-16(14)13-32-21(31)27-10-8-26(2)9-11-27/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,23,24,25)