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

Systemtic Name: 1,8-bis(chloranyl)-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,8-dichloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,8-dichloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,8-dichloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,8-dichloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C18H20Cl2N4O3S MolecularWeight: 443.3474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N4O3S/c1-5-27-14-7-11-6-12(19)8-13(28(25,26)10(2)3)16(11)24(4)18-15(23-14)17(20)21-9-22-18/h6,8-10H,5,7H2,1-4H3