1-chloranyl-11-ethoxy-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-11-ethoxy-6,8-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-ethoxy-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-11-ethoxy-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-11-ethoxy-6,8-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C21H27ClN4O5S2 MolecularWeight: 515.04588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)S(=O)(=O)C(C)C)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C21H27ClN4O5S2/c1-7-31-17-9-14-8-15(32(27,28)12(2)3)10-16(33(29,30)13(4)5)19(14)26(6)21-18(25-17)20(22)23-11-24-21/h8,10-13H,7,9H2,1-6H3