ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzotriazolylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzotriazol-1-ylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H28N8O4S MolecularWeight: 584.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC(=C(C=C2)O)OC)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC(=C(C=C2)O)OC)CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)C

InChI

InChI=1S/C29H28N8O4S/c1-4-41-28(39)26-18(2)34(16-36-22-11-7-5-9-20(22)30-32-36)29(42)35(17-37-23-12-8-6-10-21(23)31-33-37)27(26)19-13-14-24(38)25(15-19)40-3/h5-15,27,38H,4,16-17H2,1-3H3