[4-(butylamino)-6-(4-prop-2-enylphenyl)-1,3,5-triazin-2-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(butylamino)-6-(4-prop-2-enylphenyl)-1,3,5-triazin-2-yl]-pyridin-3-yl-methanone Openeye Name: [4-(4-allylphenyl)-6-(butylamino)-1,3,5-triazin-2-yl]-(3-pyridyl)methanone CAS Name: [4-(butylamino)-6-(4-prop-2-enylphenyl)-1,3,5-triazin-2-yl]-(3-pyridinyl)methanone IUPAC Name: [4-(butylamino)-6-(4-prop-2-enylphenyl)-1,3,5-triazin-2-yl]-pyridin-3-ylmethanone Traditional Name: [4-(4-allylphenyl)-6-(butylamino)-s-triazin-2-yl]-(3-pyridyl)methanone Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)C(=O)C2=CN=CC=C2)C3=CC=C(C=C3)CC=C

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)C(=O)C2=CN=CC=C2)C3=CC=C(C=C3)CC=C

InChI

InChI=1S/C22H23N5O/c1-3-5-14-24-22-26-20(17-11-9-16(7-4-2)10-12-17)25-21(27-22)19(28)18-8-6-13-23-15-18/h4,6,8-13,15H,2-3,5,7,14H2,1H3,(H,24,25,26,27)