4-chloranyl-2,5-dimethyl-7-(6-methylsulfanyl-6-propan-2-yl-cyclohexa-2,4-dien-1-yl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-2,5-dimethyl-7-(6-methylsulfanyl-6-propan-2-yl-cyclohexa-2,4-dien-1-yl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-chloro-7-(6-isopropyl-6-methylsulfanyl-cyclohexa-2,4-dien-1-yl)-2,5-dimethyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-chloro-2,5-dimethyl-7-[6-(methylthio)-6-propan-2-yl-1-cyclohexa-2,4-dienyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-chloro-2,5-dimethyl-7-(6-methylsulfanyl-6-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrrolo[2,3-d]pyrimidine Traditional Name: 4-chloro-7-[6-isopropyl-6-(methylthio)cyclohexa-2,4-dien-1-yl]-2,5-dimethyl-pyrrolo[2,3-d]pyrimidine Formula: C18H22ClN3S MolecularWeight: 347.90538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C(=NC(=N2)C)Cl)C3C=CC=CC3(C(C)C)SC

Isomeric SMILES

CC1=CN(C2=C1C(=NC(=N2)C)Cl)C3C=CC=CC3(C(C)C)SC

InChI

InChI=1S/C18H22ClN3S/c1-11(2)18(23-5)9-7-6-8-14(18)22-10-12(3)15-16(19)20-13(4)21-17(15)22/h6-11,14H,1-5H3