2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carbonitrile CAS Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carbonitrile Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3C#N)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3C#N)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H17N5O4/c22-11-13-12-23-21(25-15-2-4-17-19(10-15)30-8-6-28-17)26-20(13)24-14-1-3-16-18(9-14)29-7-5-27-16/h1-4,9-10,12H,5-8H2,(H2,23,24,25,26)