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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-8-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-1-chloro-6-ethoxy-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-5-methyl-8-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-1-chloro-6-ethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-1-chloro-6-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=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C(C)C

InChI

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