4-azanyl-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine-5-carbonitrile Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C13H10N4O2/c14-5-8-6-16-13(17-12(8)15)11-7-18-9-3-1-2-4-10(9)19-11/h1-4,6,11H,7H2,(H2,15,16,17)/t11-/m1/s1