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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-11-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-1-chloro-6-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-5-methyl-11-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-1-chloro-6-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-1-chloro-6-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)C(C)C)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O3S/c1-5-33-21-14-20(34(31,32)16(2)3)13-18-12-19(11-17-9-7-6-8-10-17)29-22-24(26)27-15-28-25(22)30(4)23(18)21/h6-10,13-16H,5,11-12H2,1-4H3