2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanamide

Systemtic Name: 2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanamide Openeye Name: 2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanamide CAS Name: 2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide IUPAC Name: 2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide Traditional Name: 2-[(2,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butyramide Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC1=NC(=NC2=C1C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)N)NC1=NC(=NC2=C1C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c1-14(2)19(20(24)29)26-23-17-13-18(15-9-5-3-6-10-15)25-22(17)27-21(28-23)16-11-7-4-8-12-16/h3-14,19H,1-2H3,(H2,24,29)(H2,25,26,27,28)