N-[3-azanyl-1-(4-chlorophenyl)propyl]-5-(2-azanylpyrimidin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-[3-azanyl-1-(4-chlorophenyl)propyl]-5-(2-azanylpyrimidin-4-yl)thiophene-2-carboxamide Openeye Name: N-[3-amino-1-(4-chlorophenyl)propyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide CAS Name: N-[3-amino-1-(4-chlorophenyl)propyl]-5-(2-amino-4-pyrimidinyl)-2-thiophenecarboxamide IUPAC Name: N-[3-amino-1-(4-chlorophenyl)propyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide Traditional Name: N-[3-amino-1-(4-chlorophenyl)propyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCN)NC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CCN)NC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N)Cl

InChI

InChI=1S/C18H18ClN5OS/c19-12-3-1-11(2-4-12)13(7-9-20)23-17(25)16-6-5-15(26-16)14-8-10-22-18(21)24-14/h1-6,8,10,13H,7,9,20H2,(H,23,25)(H2,21,22,24)