N'-[4-(1-benzothiophen-2-yl)-6-(furan-3-yl)pyrimidin-2-yl]ethane-1,2-diamine

Systemtic Name: N'-[4-(1-benzothiophen-2-yl)-6-(furan-3-yl)pyrimidin-2-yl]ethane-1,2-diamine Openeye Name: N'-[4-(benzothiophen-2-yl)-6-(3-furyl)pyrimidin-2-yl]ethane-1,2-diamine CAS Name: N'-[4-(1-benzothiophen-2-yl)-6-(3-furanyl)-2-pyrimidinyl]ethane-1,2-diamine IUPAC Name: N'-[4-(1-benzothiophen-2-yl)-6-(furan-3-yl)pyrimidin-2-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[4-(benzothiophen-2-yl)-6-(3-furyl)pyrimidin-2-yl]amine Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC(=C3)C4=COC=C4)NCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC(=C3)C4=COC=C4)NCCN

InChI

InChI=1S/C18H16N4OS/c19-6-7-20-18-21-14(13-5-8-23-11-13)10-15(22-18)17-9-12-3-1-2-4-16(12)24-17/h1-5,8-11H,6-7,19H2,(H,20,21,22)