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

Systemtic Name: 1-chloranyl-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Openeye Name: 11-benzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol CAS Name: 1-chloro-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol IUPAC Name: 11-benzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Traditional Name: 11-benzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O)O

InChI

InChI=1S/C20H17ClN4O2/c1-25-18-13(9-15(26)10-16(18)27)8-14(7-12-5-3-2-4-6-12)24-17-19(21)22-11-23-20(17)25/h2-6,9-11,26-27H,7-8H2,1H3