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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-benzyl-1-chloro-8-ethoxy-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-5-methyl-6-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-benzyl-1-chloro-8-ethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-benzyl-1-chloro-8-ethoxy-11-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=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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