N2-phenethyl-N4-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-phenethyl-N4-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-phenethyl-N4-(2-thienylmethyl)pyrimidine-2,4-diamine CAS Name: N2-phenethyl-N4-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-phenethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine Traditional Name: phenethyl-[4-(2-thenylamino)pyrimidin-2-yl]amine Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=CC(=N2)NCC3=CC=CS3

InChI

InChI=1S/C17H18N4S/c1-2-5-14(6-3-1)8-10-18-17-19-11-9-16(21-17)20-13-15-7-4-12-22-15/h1-7,9,11-12H,8,10,13H2,(H2,18,19,20,21)