1-chloranyl-6,8-diethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-6,8-diethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6,8-diethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6,8-diethoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6,8-diethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6,8-diethoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-5-24-12-7-11-8-14(26-4)22-15-17(19)20-10-21-18(15)23(3)16(11)13(9-12)25-6-2/h7,9-10H,5-6,8H2,1-4H3