4-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butanoate

Systemtic Name: 4-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butyrate Formula: C17H19N4O3- MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCCC(=O)[O-])CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCCC(=O)[O-])CC3=CC=CO3)C

InChI

InChI=1S/C17H20N4O3/c1-11-12(2)21(9-13-5-4-8-24-13)17-15(11)16(19-10-20-17)18-7-3-6-14(22)23/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,22,23)(H,18,19,20)/p-1