2-(1-chloranyl-8-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol

Systemtic Name: 2-(1-chloranyl-8-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-[1-chloro-8-ethoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol IUPAC Name: 2-(1-chloro-8-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-[1-chloro-8-ethoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)SC)C

Isomeric SMILES

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)SC)C

InChI

InChI=1S/C22H21ClN4O2S/c1-4-29-14-9-13-10-18(30-3)26-19-21(23)24-12-25-22(19)27(2)20(13)16(11-14)15-7-5-6-8-17(15)28/h5-9,11-12,28H,4,10H2,1-3H3