ethyl 4-(8-bromanyl-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(8-bromanyl-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(8-bromo-5H-pyrimid[5,4-b]indol-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C17H18BrN5O2 MolecularWeight: 404.26112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C17H18BrN5O2/c1-2-25-17(24)23-7-5-22(6-8-23)16-15-14(19-10-20-16)12-9-11(18)3-4-13(12)21-15/h3-4,9-10,21H,2,5-8H2,1H3