4-azanyl-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine-5-carbonitrile Formula: C14H11BrN4O2S MolecularWeight: 379.23174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C14H11BrN4O2S/c15-10-4-12-11(20-1-2-21-12)3-8(10)7-22-14-18-6-9(5-16)13(17)19-14/h3-4,6H,1-2,7H2,(H2,17,18,19)