4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde

Systemtic Name: 4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde Openeye Name: 4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde CAS Name: 4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde IUPAC Name: 4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde Traditional Name: 4-[4-[[(1S)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)C=O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)C=O

InChI

InChI=1S/C21H18N4O/c1-14(16-5-3-2-4-6-16)24-20-18-11-19(25-21(18)23-13-22-20)17-9-7-15(12-26)8-10-17/h2-14H,1H3,(H2,22,23,24,25)/t14-/m0/s1