5-azanyl-2-(1,3-benzoxazol-2-ylamino)pyrimidine-4-carbonitrile

Systemtic Name: 5-azanyl-2-(1,3-benzoxazol-2-ylamino)pyrimidine-4-carbonitrile Openeye Name: 5-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-4-carbonitrile CAS Name: 5-amino-2-(1,3-benzoxazol-2-ylamino)-4-pyrimidinecarbonitrile IUPAC Name: 5-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-4-carbonitrile Traditional Name: 5-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-4-carbonitrile Formula: C12H8N6O MolecularWeight: 252.23152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NC3=NC=C(C(=N3)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC3=NC=C(C(=N3)C#N)N

InChI

InChI=1S/C12H8N6O/c13-5-9-7(14)6-15-11(16-9)18-12-17-8-3-1-2-4-10(8)19-12/h1-4,6H,14H2,(H,15,16,17,18)