4-azanyl-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(2-phthalimidoethylthio)pyrimidine-5-carbonitrile Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H11N5O2S/c16-7-9-8-18-15(19-12(9)17)23-6-5-20-13(21)10-3-1-2-4-11(10)14(20)22/h1-4,8H,5-6H2,(H2,17,18,19)