N-[2-[4-(1H-benzimidazol-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[2-[4-(1H-benzimidazol-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine Openeye Name: N-[2-[4-(1H-benzimidazol-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine CAS Name: N-[2-[4-(1H-benzimidazol-2-ylamino)phenyl]ethyl]-4-thieno[3,2-d]pyrimidinamine IUPAC Name: N-[2-[4-(1H-benzimidazol-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-yl-[4-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]phenyl]amine Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC3=CC=C(C=C3)CCNC4=NC=NC5=C4SC=C5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC3=CC=C(C=C3)CCNC4=NC=NC5=C4SC=C5

InChI

InChI=1S/C21H18N6S/c1-2-4-17-16(3-1)26-21(27-17)25-15-7-5-14(6-8-15)9-11-22-20-19-18(10-12-28-19)23-13-24-20/h1-8,10,12-13H,9,11H2,(H,22,23,24)(H2,25,26,27)