N-[4-(1-chloroethyl)-6-(1-phenoxybutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide

Systemtic Name: N-[4-(1-chloroethyl)-6-(1-phenoxybutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide Openeye Name: N-[4-(1-chloroethyl)-6-[1-(phenoxymethyl)propylamino]-1,3,5-triazin-2-yl]propanamide CAS Name: N-[4-(1-chloroethyl)-6-(1-phenoxybutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide IUPAC Name: N-[4-(1-chloroethyl)-6-(1-phenoxybutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide Traditional Name: N-[4-(1-chloroethyl)-6-[1-(phenoxymethyl)propylamino]-s-triazin-2-yl]propionamide Formula: C18H24ClN5O2 MolecularWeight: 377.86846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=CC=C1)NC2=NC(=NC(=N2)NC(=O)CC)C(C)Cl

Isomeric SMILES

CCC(COC1=CC=CC=C1)NC2=NC(=NC(=N2)NC(=O)CC)C(C)Cl

InChI

InChI=1S/C18H24ClN5O2/c1-4-13(11-26-14-9-7-6-8-10-14)20-17-22-16(12(3)19)23-18(24-17)21-15(25)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,22,23,24,25)