2-azanyl-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(cyclohexylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)N)NC3CCCCC3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)N)NC3CCCCC3)C#N

InChI

InChI=1S/C20H25N5O3/c1-26-15-9-12(10-16(27-2)18(15)28-3)17-14(11-21)19(25-20(22)24-17)23-13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3,(H3,22,23,24,25)