N-[(E)-(2-azanylpyridin-3-yl)methylideneamino]-5-iodanyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: N-[(E)-(2-azanylpyridin-3-yl)methylideneamino]-5-iodanyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: N-[(E)-(2-amino-3-pyridyl)methyleneamino]-2-benzylsulfanyl-5-iodo-pyrimidin-4-amine CAS Name: N-[(E)-(2-amino-3-pyridinyl)methylideneamino]-5-iodo-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: N-[(E)-(2-aminopyridin-3-yl)methylideneamino]-2-benzylsulfanyl-5-iodopyrimidin-4-amine Traditional Name: [(E)-(2-amino-3-pyridyl)methyleneamino]-[2-(benzylthio)-5-iodo-pyrimidin-4-yl]amine Formula: C17H15IN6S MolecularWeight: 462.31067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)NN=CC3=C(N=CC=C3)N)I

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N/N=C/C3=C(N=CC=C3)N)I

InChI

InChI=1S/C17H15IN6S/c18-14-10-21-17(25-11-12-5-2-1-3-6-12)23-16(14)24-22-9-13-7-4-8-20-15(13)19/h1-10H,11H2,(H2,19,20)(H,21,23,24)/b22-9+