4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine

Systemtic Name: 4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine Openeye Name: 4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine CAS Name: 4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine IUPAC Name: 4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine Traditional Name: 4-(3-methoxyprop-1-ynyl)-5,6-dimethyl-2-(5-phenylpent-1-ynyl)pyrimidine Formula: C21H22N2O MolecularWeight: 318.41218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)C#CCCCC2=CC=CC=C2)C#CCOC

Isomeric SMILES

CC1=C(N=C(N=C1C)C#CCCCC2=CC=CC=C2)C#CCOC

InChI

InChI=1S/C21H22N2O/c1-17-18(2)22-21(23-20(17)14-10-16-24-3)15-9-5-8-13-19-11-6-4-7-12-19/h4,6-7,11-12H,5,8,13,16H2,1-3H3