2-[[4-[(phenylmethyl)amino]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[4-[(phenylmethyl)amino]-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol Openeye Name: 2-[[4-(benzylamino)-7-isopropyl-pyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol CAS Name: 2-[[4-[(phenylmethyl)amino]-7-propan-2-yl-2-pyrrolo[2,3-d]pyrimidinyl]amino]-1-butanol IUPAC Name: 2-[[4-(benzylamino)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol Traditional Name: 2-[[4-(benzylamino)-7-isopropyl-pyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C=CN2C(C)C)C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

CCC(CO)NC1=NC2=C(C=CN2C(C)C)C(=N1)NCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O/c1-4-16(13-26)22-20-23-18(21-12-15-8-6-5-7-9-15)17-10-11-25(14(2)3)19(17)24-20/h5-11,14,16,26H,4,12-13H2,1-3H3,(H2,21,22,23,24)