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

Systemtic Name: 4-azanyl-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(1,3-benzoxazol-2-ylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidine-5-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)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H8N6O/c13-5-7-6-15-11(17-10(7)14)18-12-16-8-3-1-2-4-9(8)19-12/h1-4,6H,(H3,14,15,16,17,18)