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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-methylsulfanyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-5-methyl-6-(methylthio)-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4OS/c1-4-29-18-12-16-11-17(10-15-8-6-5-7-9-15)27-20-22(24)25-14-26-23(20)28(2)21(16)19(13-18)30-3/h5-9,12-14H,4,10-11H2,1-3H3