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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-6,11-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-6,11-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=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C)S(=O)(=O)C(C)C

InChI

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