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

Systemtic Name: 1-chloranyl-6-ethoxy-11-iodanyl-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6-ethoxy-11-iodo-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-11-iodo-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-ethoxy-11-iodo-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6-ethoxy-11-iodo-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C18H20ClIN4O3S MolecularWeight: 534.79887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClIN4O3S/c1-5-27-13-8-12(28(25,26)10(2)3)6-11-7-14(20)23-15-17(19)21-9-22-18(15)24(4)16(11)13/h6,8-10H,5,7H2,1-4H3