6-(4-bromophenyl)-1-(4-methoxyphenyl)-5-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-1-(4-methoxyphenyl)-5-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-1-(4-methoxyphenyl)-5-methyl-7-oxo-pyrazolo[4,3-d]pyrimidine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-1-(4-methoxyphenyl)-5-methyl-7-oxo-3-pyrazolo[4,3-d]pyrimidinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-1-(4-methoxyphenyl)-5-methyl-7-oxopyrazolo[4,3-d]pyrimidine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-7-keto-1-(4-methoxyphenyl)-5-methyl-pyrazolo[4,3-d]pyrimidine-3-carbonitrile Formula: C20H14BrN5O2 MolecularWeight: 436.26146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)N(N=C2C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)N(N=C2C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H14BrN5O2/c1-12-23-18-17(11-22)24-26(15-7-9-16(28-2)10-8-15)19(18)20(27)25(12)14-5-3-13(21)4-6-14/h3-10H,1-2H3