3-azanyl-5-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(4-benzofuro[3,2-d]pyrimidinylamino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1H-pyrazole-4-carbonitrile Formula: C17H15N7O MolecularWeight: 333.3473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C17H15N7O/c18-8-11-12(23-24-16(11)19)5-3-7-20-17-15-14(21-9-22-17)10-4-1-2-6-13(10)25-15/h1-2,4,6,9H,3,5,7H2,(H3,19,23,24)(H,20,21,22)