1-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea

Systemtic Name: 1-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea CAS Name: 1-[4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea Formula: C19H17N7O2 MolecularWeight: 375.38398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C19H17N7O2/c1-28-15-4-2-3-13(9-15)25-19(27)24-12-5-7-14(8-6-12)26-18-16(10-23-26)17(20)21-11-22-18/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27)