2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(cyclohexylamino)pyrimidine-5-carbonitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H19N5O2/c19-9-13-16(11-6-7-14-15(8-11)25-10-24-14)22-18(20)23-17(13)21-12-4-2-1-3-5-12/h6-8,12H,1-5,10H2,(H3,20,21,22,23)