5-[[bis(phenylmethyl)amino]methyl]-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 5-[[bis(phenylmethyl)amino]methyl]-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: 5-[(dibenzylamino)methyl]-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: 5-[[bis(phenylmethyl)amino]methyl]-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide IUPAC Name: 5-[(dibenzylamino)methyl]-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: 5-[(dibenzylamino)methyl]-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CNC4=C3C(=O)N=C(N4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CNC4=C3C(=O)N=C(N4)C(=O)N

InChI

InChI=1S/C22H21N5O2/c23-19(28)21-25-20-18(22(29)26-21)17(11-24-20)14-27(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11H,12-14H2,(H2,23,28)(H2,24,25,26,29)