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

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

Isomeric SMILES

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

InChI

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