4-[(4-tert-butylphenyl)-sulfino-amino]-5-(2-chloranyl-5-methoxy-phenoxy)-6-methanoyl-2-pyrimidin-2-yl-pyrimidine

Systemtic Name: 4-[(4-tert-butylphenyl)-sulfino-amino]-5-(2-chloranyl-5-methoxy-phenoxy)-6-methanoyl-2-pyrimidin-2-yl-pyrimidine Openeye Name: 4-(4-tert-butyl-N-sulfino-anilino)-5-(2-chloro-5-methoxy-phenoxy)-6-formyl-2-pyrimidin-2-yl-pyrimidine CAS Name: 4-(4-tert-butyl-N-sulfinoanilino)-5-(2-chloro-5-methoxyphenoxy)-6-formyl-2-(2-pyrimidinyl)pyrimidine IUPAC Name: 4-(4-tert-butyl-N-sulfinoanilino)-5-(2-chloro-5-methoxyphenoxy)-6-formyl-2-pyrimidin-2-ylpyrimidine Traditional Name: 4-(4-tert-butyl-N-sulfino-anilino)-5-(2-chloro-5-methoxy-phenoxy)-6-formyl-2-(2-pyrimidyl)pyrimidine Formula: C26H24ClN5O5S MolecularWeight: 554.01726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C2=NC(=NC(=C2OC3=C(C=CC(=C3)OC)Cl)C=O)C4=NC=CC=N4)S(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=NC(=NC(=C2OC3=C(C=CC(=C3)OC)Cl)C=O)C4=NC=CC=N4)S(=O)O

InChI

InChI=1S/C26H24ClN5O5S/c1-26(2,3)16-6-8-17(9-7-16)32(38(34)35)25-22(37-21-14-18(36-4)10-11-19(21)27)20(15-33)30-24(31-25)23-28-12-5-13-29-23/h5-15H,1-4H3,(H,34,35)