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

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-1-chloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-ethoxy-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-1-chloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-1-chloro-11-ethoxy-6-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)S(=O)(=O)C(C)C)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)S(=O)(=O)C(C)C)C

InChI

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