N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=NNC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=N/NC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O2S/c1-2-4-15(5-3-1)16-12-28-21-19(16)20(22-13-23-21)25-24-11-14-6-7-17-18(10-14)27-9-8-26-17/h1-7,10-13H,8-9H2,(H,22,23,25)/b24-11+